2-(methylcarbamoyl)cyclobutene-1-carboxylic acid

C7H9NO3 — CID 45123514

IUPAC2-(methylcarbamoyl)cyclobutene-1-carboxylic acid
SMILESCNC(=O)C1=C(C(=O)O)CC1
InChIInChI=1S/C7H9NO3/c1-8-6(9)4-2-3-5(4)7(10)11/h2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyZCYKIZJKOUFPLP-UHFFFAOYSA-N
MW155.15 g/mol
LogP-0.09
Rot. Bonds2

About 2-(methylcarbamoyl)cyclobutene-1-carboxylic acid

2-(methylcarbamoyl)cyclobutene-1-carboxylic acid (PubChem CID 45123514) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 2-(methylcarbamoyl)cyclobutene-1-carboxylic acid.

Molecular Properties

Compound Name2-(methylcarbamoyl)cyclobutene-1-carboxylic acid
PubChem CID45123514
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name2-(methylcarbamoyl)cyclobutene-1-carboxylic acid
SMILESCNC(=O)C1=C(C(=O)O)CC1
InChIInChI=1S/C7H9NO3/c1-8-6(9)4-2-3-5(4)7(10)11/h2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyZCYKIZJKOUFPLP-UHFFFAOYSA-N
XLogP-0.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methylcarbamoyl)cyclobutene-1-carboxylic acid?
The IUPAC name of 2-(methylcarbamoyl)cyclobutene-1-carboxylic acid (CID 45123514) is 2-(methylcarbamoyl)cyclobutene-1-carboxylic acid.
What is the SMILES notation for 2-(methylcarbamoyl)cyclobutene-1-carboxylic acid?
The canonical SMILES for 2-(methylcarbamoyl)cyclobutene-1-carboxylic acid is CNC(=O)C1=C(C(=O)O)CC1.
What is the InChIKey of 2-(methylcarbamoyl)cyclobutene-1-carboxylic acid?
The InChIKey is ZCYKIZJKOUFPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-8-6(9)4-2-3-5(4)7(10)11/h2-3H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 2-(methylcarbamoyl)cyclobutene-1-carboxylic acid?
2-(methylcarbamoyl)cyclobutene-1-carboxylic acid has a molecular weight of 155.15 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylcarbamoyl)cyclobutene-1-carboxylic acid is sourced from PubChem (CID 45123514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).